BDBM22787 1-acetyl-2,3-dihydro-1H-indole-2,3-dione::Acetylisatin (Compound 7)::Isatin-based compound, 7

SMILES: CC(=O)N1C(=O)C(=O)c2ccccc12

InChI Key: InChIKey=LPGDEHBASRKTDG-UHFFFAOYSA-N

Data: 5 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 22787   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	>-5.45	n/a	n/a	n/a	n/a	n/a	7.4	25
St. Jude Research Hospital					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK
					More data for this Ligand-Target Pair
Chorismate mutase (MTB CM) (Mycobacterium tuberculosis H37Rv)	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	37
Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India					Assay Description The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...				Chem Biol Drug Des 83: 498-506 (2014) Article DOI: 10.1111/cbdd.12265 BindingDB Entry DOI: 10.7270/Q2F76B65
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate addition				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair
Monoamine oxidase B (Bos taurus)	BDBM22787 (1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...) Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12 Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrate				Bioorg Med Chem Lett 25: 70-4 (2015) Article DOI: 10.1016/j.bmcl.2014.11.007 BindingDB Entry DOI: 10.7270/Q24F1SGH
					More data for this Ligand-Target Pair